SpectraBase Compound ID | 8mVUhV9Vm8c |
---|---|
InChI | InChI=1S/C11H15N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11-12H,6-9H2 |
InChIKey | HFBLCYZEOGXHDP-UHFFFAOYSA-N |
Mol Weight | 161.25 g/mol |
Molecular Formula | C11H15N |
Exact Mass | 161.120449 g/mol |
SpectraBase Spectrum ID | BtMPSOb1Wcl |
---|---|
Name | 3-Benzylpyrrolidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 161.120449487 u |
Formula | C11H15N |
InChI | InChI=1S/C11H15N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11-12H,6-9H2 |
InChIKey | HFBLCYZEOGXHDP-UHFFFAOYSA-N |
Molecular Weight | 161.248 g/mol |
SMILES | C1=C(C=CC=C1)CC1CCNC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989534 |